SCHEMBL4868536

SCHEMBL4868536

O=C(On1nnc2ccccc21)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.71
HDAC4 P56524 4/20 0.71
HDAC1 Q13547 4/20 0.71
HDAC7 Q8WUI4 4/20 0.71
HDAC2 Q92769 4/20 0.71
HDAC10 Q969S8 4/20 0.71
HDAC11 Q96DB2 4/20 0.71
HDAC8 Q9BY41 4/20 0.71
HDAC6 Q9UBN7 4/20 0.71
HDAC9 Q9UKV0 4/20 0.71
HDAC5 Q9UQL6 4/20 0.71
SIRT2 Q8IXJ6 4/20 0.64
MGAM O43451 5/20 0.59
AMY1A P0DUB6 5/20 0.59
GAA P10253 5/20 0.59
SI P14410 5/20 0.59
MGAM2 Q2M2H8 5/20 0.59
F12 P00748 2/20 0.59
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1779820 0.88 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12430571 0.87 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7413562 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2298574 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539230 0.86 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4953766 0.86 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7317724 0.83 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8827885 0.83 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL69679 0.82 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31307068 0.81 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 HDAC3 2844/4885HDAC4 1743/4885HDAC1 1117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.